2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine

C13H26N2O — CID 63854606

IUPAC2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine
SMILESC=C(C)CN1CCCCC1CNCCOC
InChIInChI=1S/C13H26N2O/c1-12(2)11-15-8-5-4-6-13(15)10-14-7-9-16-3/h13-14H,1,4-11H2,2-3H3
InChIKeyNUTQMUOJVNKVSB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 63854606) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine
PubChem CID63854606
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine
SMILESC=C(C)CN1CCCCC1CNCCOC
InChIInChI=1S/C13H26N2O/c1-12(2)11-15-8-5-4-6-13(15)10-14-7-9-16-3/h13-14H,1,4-11H2,2-3H3
InChIKeyNUTQMUOJVNKVSB-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine (CID 63854606) is 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine is C=C(C)CN1CCCCC1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is NUTQMUOJVNKVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)11-15-8-5-4-6-13(15)10-14-7-9-16-3/h13-14H,1,4-11H2,2-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63854606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).